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CHEBI:218396 - (2R,3R)-14-diacetyl-1,2,3,4-butanetetraol-2,3-diorsellinate

ChEBI IDCHEBI:218396
ChEBI Name(2R,3R)-14-diacetyl-1,2,3,4-butanetetraol-2,3-diorsellinate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O12
Net Charge0
Average Mass506.460
Monoisotopic Mass506.14243
SMILESCC(=O)OC[C@@H](OC(=O)c1c(C)cc(O)cc1O)[C@@H](COC(C)=O)OC(=O)c1c(C)cc(O)cc1O
InChIInChI=1S/C24H26O12/c1-11-5-15(27)7-17(29)21(11)23(31)35-19(9-33-13(3)25)20(10-34-14(4)26)36-24(32)22-12(2)6-16(28)8-18(22)30/h5-8,19-20,27-30H,9-10H2,1-4H3/t19-,20-/m1/s1
InChIKeyJBIJLGLFEPSXNS-WOJBJXKFSA-N
Species of MetaboliteComponentSourceComments
Ascotrichaspecies ZJ-M-5 (ncbitaxon:1217164) - PubMed (28276771)
ChEBI Ontology
Outgoing Relation(s)
(2R,3R)-14-diacetyl-1,2,3,4-butanetetraol-2,3-diorsellinate (CHEBI:218396) has functional parent tetracarboxylic acid (CHEBI:35742)
(2R,3R)-14-diacetyl-1,2,3,4-butanetetraol-2,3-diorsellinate (CHEBI:218396) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2R,3R)-1,4-diacetyloxy-3-(2,4-dihydroxy-6-methylbenzoyl)oxybutan-2-yl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
78439427ChemSpider